(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

C29H27N5O2 — CID 69133227

IUPAC(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12
InChIInChI=1S/C29H27N5O2/c1-2-25-24-13-18(9-10-27(24)34-33-25)23-14-21(16-32-29(23)28-8-5-11-35-28)36-17-20(30)12-19-15-31-26-7-4-3-6-22(19)26/h3-11,13-16,20,31H,2,12,17,30H2,1H3,(H,33,34)/t20-/m0/s1
InChIKeyMHDMGBWXRSODOX-FQEVSTJZSA-N
MW477.57 g/mol
LogP5.88
Rot. Bonds8

About (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 69133227) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
PubChem CID69133227
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12
InChIInChI=1S/C29H27N5O2/c1-2-25-24-13-18(9-10-27(24)34-33-25)23-14-21(16-32-29(23)28-8-5-11-35-28)36-17-20(30)12-19-15-31-26-7-4-3-6-22(19)26/h3-11,13-16,20,31H,2,12,17,30H2,1H3,(H,33,34)/t20-/m0/s1
InChIKeyMHDMGBWXRSODOX-FQEVSTJZSA-N
XLogP5.88
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 69133227) is (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is CCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12.
What is the InChIKey of (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The InChIKey is MHDMGBWXRSODOX-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H27N5O2/c1-2-25-24-13-18(9-10-27(24)34-33-25)23-14-21(16-32-29(23)28-8-5-11-35-28)36-17-20(30)12-19-15-31-26-7-4-3-6-22(19)26/h3-11,13-16,20,31H,2,12,17,30H2,1H3,(H,33,34)/t20-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 477.57 g/mol, XLogP of 5.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 69133227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).